SCHEMBL5324293

SCHEMBL5324293

N#Cc1cnn2c(O)c(-c3ncc(Cl)cc3Cl)c(O)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
CDK2 P24941 2/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4D Q6B0I6 1/20 0.35
CSNK2A1 P68400 6/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
CRHR1 P34998 2/20 0.34
MAPKAPK2 P49137 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CLK4 Q9HAZ1 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5323810 0.81 KDM4E (0.44) KDM4ECDK2ALDH1A1LMNAPOLB
SCHEMBL14414314 0.81 KDM4E (0.47) KDM4ECDK2ALDH1A1LMNAPOLB
SCHEMBL2796946 0.76 ALDH1A1 (0.42) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL4691853 0.75 CSNK2A1 (0.44) KDM4ECDK2ALDH1A1LMNAPOLB
SCHEMBL5351754 0.72 CDK2 (0.41) KDM4ECDK2ALDH1A1LMNAPOLB
SCHEMBL5351750 0.72 CDK2 (0.41) KDM4ECDK2ALDH1A1LMNAPOLB
SCHEMBL5345618 0.71 CDK2 (0.39) KDM4ECDK2ALDH1A1LMNAPOLB
SCHEMBL5345610 0.71 CDK2 (0.39) KDM4ECDK2ALDH1A1LMNAPOLB
SCHEMBL18863632 0.70 CSNK2A1 (0.44) KDM4ECDK2ALDH1A1KDM4DCSNK2A1
SCHEMBL4693576 0.70 KDM4D (0.45) KDM4ECDK2ALDH1A1KDM4DCSNK2A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007101859-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF FOR CONTROLLING PARASITIC FUNGI AND AGENTS CONTAINING THE LATTER BASF SE (DE) 2007-09-13 WO disclosed